1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one

C17H19NO — CID 116551306

IUPAC1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
SMILESCc1ccc(C)c(CC(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-12-8-9-13(2)15(10-12)11-16(19)17(18)14-6-4-3-5-7-14/h3-10,17H,11,18H2,1-2H3
InChIKeyBVMDHIMHFKYDGZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.12
Rot. Bonds4

About 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one

1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one (PubChem CID 116551306) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
PubChem CID116551306
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
SMILESCc1ccc(C)c(CC(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-12-8-9-13(2)15(10-12)11-16(19)17(18)14-6-4-3-5-7-14/h3-10,17H,11,18H2,1-2H3
InChIKeyBVMDHIMHFKYDGZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
CID 116599033
1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
CID 106871178
1-(2,5-dimethylphenyl)-3-hydroxybutan-2-one
CID 103451453
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
(2S)-2-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 94767216
3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
CID 105412057
(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one?
The IUPAC name of 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one (CID 116551306) is 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one is Cc1ccc(C)c(CC(=O)C(N)c2ccccc2)c1.
What is the InChIKey of 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one?
The InChIKey is BVMDHIMHFKYDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-8-9-13(2)15(10-12)11-16(19)17(18)14-6-4-3-5-7-14/h3-10,17H,11,18H2,1-2H3.
What are the key properties of 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one?
1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 116551306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).